CID 70472

1000-68-6

Structural Information

Molecular Formula
C3H9NO3S2
SMILES
CNCCSS(=O)(=O)O
InChI
InChI=1S/C3H9NO3S2/c1-4-2-3-8-9(5,6)7/h4H,2-3H2,1H3,(H,5,6,7)
InChIKey
FLHDCEZDRGEYQL-UHFFFAOYSA-N
Compound name
1-(methylamino)-2-sulfosulfanylethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

171.00238 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.00966 131.8
[M+Na]+ 193.99160 138.9
[M-H]- 169.99510 130.5
[M+NH4]+ 189.03620 151.3
[M+K]+ 209.96554 135.6
[M+H-H2O]+ 153.99964 126.6
[M+HCOO]- 216.00058 143.8
[M+CH3COO]- 230.01623 173.8
[M+Na-2H]- 191.97705 134.8
[M]+ 171.00183 133.9
[M]- 171.00293 133.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe